Results 1 to 10 of about 55,378 (323)

Metropolis simulations of Met-Enkephalin with solvent-accessible area parameterizations [PDF]

Phys. Rev. E 69, 026703 (2004), 2003
We investigate the solvent-accessible area method by means of Metropolis simulations of the brain peptide Met-Enkephalin at 300$ K$. For the energy function ECEPP/2 nine atomic solvation parameter (ASP) sets are studied. The simulations are compared with one another, with simulations with a distance dependent electrostatic permittivity $\epsilon (r ...
A.H. Juffer, B. Hingerty, B. Lee, B. von Freyberg, B.A. Berg, Bernd A. Berg, C. Cothia, C.-Y. Lin, C.A. Schiffer, D. Eisenberg, D. Eisenberg, F. Eisenmenger, H. Meirovitch, Hsiao-Ping Hsu, J. Vila, J.L. Fauchere, K. Hukusima, L. Wesson, M. Kinoshita, M. Masuya, M.J. Sippl, Min-yi Shen, R. Wolfenden, S. Cabani, T. Ooi, U.H. Hansmann, U.H. Hansmann, U.H. Hansmann, W.H. Graham, Y. Okamoto, Y. Okamoto, Y. Peng, Y. Peng, Z. Li, Z. Li   +34 more
arxiv   +5 more sources

Disparate Effects of Stressors on Met-Enkephalin System Parameters and on Plasma Concentrations of Corticosterone in Young Female Chickens [PDF]

Animals
The effects of stressors were examined on Met-enkephalin-related parameters and plasma concentrations of corticosterone in 14-week-old female chickens.
Colin Guy Scanes, Krystyna Pierzchala-Koziec   +1 more
doaj   +2 more sources

Reconstructing the free-energy landscape of Met-enkephalin using dihedral Principal Component Analysis and Well-tempered Metadynamics [PDF]

, 2012
Well-Tempered Metadynamics (WTmetaD) is an efficient method to enhance the reconstruction of the free-energy surface of proteins. WTmetaD guarantees a faster convergence in the long time limit in comparison with the standard metadynamics. It still suffers however from the same limitation, i.e.
François Sicard, Patrick Senet, Rapaka R. S.   +2 more
arxiv   +4 more sources

Structure of the Energy Landscape of Short Peptides [PDF]

Int. J. of Mod. Phys. C 14(1), xxx (2003), 2002
We have simulated, as a showcase, the pentapeptide Met-enkephalin (Tyr-Gly-Gly-Phe-Met) to visualize the energy landscape and investigate the conformational coverage by the multicanonical method. We have obtained a three-dimensional topographic picture of the whole energy landscape by plotting the histogram with respect to energy(temperature) and the ...
Berg B. A., Berg B. A., Eisenmenger F., HANDAN ARKIN, Hansmann U. H. E., TARIK ÇELİK   +5 more
arxiv   +3 more sources

Effective Sampling in the Configurational Space by the Multicanonical-Multioverlap Algorithm [PDF]

, 2006
We propose a new generalized-ensemble algorithm, which we refer to as the multicanonical-multioverlap algorithm. By utilizing a non-Boltzmann weight factor, this method realizes a random walk in the multi-dimensional, energy-overlap space and explores widely in the configurational space including specific configurations, where the overlap of a ...
B. A. Berg, M. H. Quenouille, R. G. Miller, Satoru G. Itoh, Y. Sugita, Yuko Okamoto   +5 more
arxiv   +3 more sources

Research Note: Morphine influences circulating and tissue concentrations of met-enkephalin and proenkephalin (PENK) expression and plasma concentrations of corticosterone in chickens [PDF]

Poultry Science
: The effects of the administration of the opioid agonist, morphine, on plasma and tissue concentrations of Met-enkephalin were determined in 14 wk old female chickens.
Colin G. Scanes, Krystyna Pierzchała-Koziec   +1 more
doaj   +2 more sources

Biased Metropolis Sampling for Rugged Free Energy Landscapes [PDF]

AIP Conference Proceedings Vol.690, 63-73 (2003), 2003
Metropolis simulations of all-atom models of peptides (i.e. small proteins) are considered. Inspired by the funnel picture of Bryngelson and Wolyness, a transformation of the updating probabilities of the dihedral angles is defined, which uses probability densities from a higher temperature to improve the algorithmic performance at a lower temperature.
Berg, Bernd A.
arxiv   +5 more sources

Parallel Tempering Algorithm for Conformational Studies of Biological Molecules [PDF]

Chem.~Phys.~Lett. 281 (1997) 140-150, 1997
The effectiveness of a new algorithm, parallel tempering, is studied for numerical simulations of biological molecules. These molecules suffer from a rough energy landscape. The resulting slowing down in numerical simulations is overcome by the new method.
Eisenmenger, Geyer, Hansmann, Hansmann, Hansmann, Hansmann, Hansmann, Hansmann, Metropolis, Okamoto, Sipple, Swendsen, Tesi, Tsallis   +13 more
arxiv   +5 more sources

Effects of Restraint Stress on Circulating Corticosterone and Met Enkephalin in Chickens: Induction of Shifts in Insulin Secretion and Carbohydrate Metabolism [PDF]

Animals
This study examined the effects of acute restraint stress in the presence or absence of naltrexone on the circulating concentrations of insulin, glucose, Met-enkephalin and corticosterone in 14-week-old chickens [design: 2 sex × 2 stress/non-stress × 2 +/
Colin G. Scanes, Krystyna Pierzchała-Koziec, Alina Gajewska   +2 more
doaj   +2 more sources

Avian opioid peptides: evolutionary considerations, functional roles and a challenge to address critical questions [PDF]

Frontiers in Physiology, 2023
The present review considers the putative hormonal opioid peptides in birds. In birds and all other vertebrates, there are four opioid related genes encoding a series of peptides.
Krystyna Pierzchała-Koziec, Colin G. Scanes   +1 more
doaj   +2 more sources